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Hydrochloric Acid → 2,3-Dihydro-5-nitro-1H-indazol-3-one

HRID 535687
ノート
印刷プレビュー

反応式

HRID 535687 の反応式
O.[NH2:2][NH2:3].Cl[C:5]1[CH:13]=[CH:12][C:11]([N+:14]([O-:16])=[O:15])=[CH:10][C:6]=1[C:7](O)=[O:8].Cl>C(O)C>[N+:14]([C:11]1[CH:10]=[C:6]2[C:5](=[CH:13][CH:12]=1)[NH:3][NH:2][C:7]2=[O:8])([O-:16])=[O:15]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 313Hydrochloric AcidHCID 172872-Chloro-5-nitrobenzoic acidHCID 24654Hydrazine hydrate (1:1)

生成物 1

HCID 53746612,3-Dihydro-5-nitro-1H-indazol-3-one収率 45%

試薬・触媒・溶媒 1

HCID 702Ethanol溶媒

反応条件

温度
0 °C

実験手順

Hydrazine hydrate (4 mL, 124 mmol) was added to a solution of 2-chloro-5-nitro benzoic acid (5 g, 24.8 mmol) in absolute ethanol (30 mL), and the resulting mixture was refluxed for 16 h. The reaction mixture was concentrated under reduced pressure. Residue was trituated with methanol to give 6.5 g of crude intermediate. 2N aq. HCl (40 mL) was added to the crude product, and the mixture was refluxed for 8 h. Reaction mixture was cooled to 0° C., solids were collected via filtration, washed with cold water and dried under vacuum. Residue was purified by flash chromatography using 1% methanol in chloroform as eluent to afford title compound (2 g, 27%) as a solid. 1H NMR (400 MHz, DMSO-d6): δ 12.4 (bs, 1H), 11.3 (bs, 1H), 8.67 (s, 1H), 8.12 (dd, J1=2.1 Hz, J2=9.0 Hz, 1H), 7.5 (d, J=9.0 Hz, 1H); ESI-MS m/z: 179 (M+H)+.

後処理

  1. temperaturethe resulting mixture was refluxed for 16 h
  2. concentrationThe reaction mixture was concentrated under reduced pressure
  3. customto give 6.5 g of crude intermediate
  4. temperaturethe mixture was refluxed for 8 h
  5. customReaction mixture
  6. filtrationsolids were collected via filtration
  7. washwashed with cold water
  8. customdried under vacuum
  9. customResidue was purified by flash chromatography

出典と根拠

ORDレコード
ord-298b6bbbe53c46f8b00a618322599531
出典データセット
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08859536B2

反応ノート

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